2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene

C37H32 — CID 165066189

IUPAC2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene
SMILESC1=C(Cc2cccc(Cc3cccc(Cc4cccc(Cc5ccccc5)c4)c3)c2)Cc2ccccc21
InChIInChI=1S/C37H32/c1-2-9-28(10-3-1)19-29-11-6-12-30(20-29)21-31-13-7-14-32(22-31)23-33-15-8-16-34(24-33)25-35-26-36-17-4-5-18-37(36)27-35/h1-18,20,22,24,26H,19,21,23,25,27H2
InChIKeyFSEUOBOTEIZUSQ-UHFFFAOYSA-N
MW476.66 g/mol
LogP8.64
Rot. Bonds8

About 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene

2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene (PubChem CID 165066189) has the molecular formula C37H32 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene.

Molecular Properties

Compound Name2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene
PubChem CID165066189
Molecular FormulaC37H32
Molecular Weight476.66 g/mol
Exact Mass476.25
IUPAC Name2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene
SMILESC1=C(Cc2cccc(Cc3cccc(Cc4cccc(Cc5ccccc5)c4)c3)c2)Cc2ccccc21
InChIInChI=1S/C37H32/c1-2-9-28(10-3-1)19-29-11-6-12-30(20-29)21-31-13-7-14-32(22-31)23-33-15-8-16-34(24-33)25-35-26-36-17-4-5-18-37(36)27-35/h1-18,20,22,24,26H,19,21,23,25,27H2
InChIKeyFSEUOBOTEIZUSQ-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-benzyl-1H-indene;tetrabromozirconium
CID 174700652
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
CID 22726390
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
5-benzyl-2-methyl-1H-indene
CID 139825397
1,4-bis(3-benzylphenyl)benzene
CID 175442136
1-benzyl-3-(methylsulfanylmethyl)benzene
CID 123343533
phenyl(113C)methylbenzene
CID 11194569
3-benzyl-9H-fluorene
CID 57310019
2-[4-[(3-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 142614829
1H-inden-2-ylsilane
CID 137327560
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene?
The IUPAC name of 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene (CID 165066189) is 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene.
What is the SMILES notation for 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene?
The canonical SMILES for 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene is C1=C(Cc2cccc(Cc3cccc(Cc4cccc(Cc5ccccc5)c4)c3)c2)Cc2ccccc21.
What is the InChIKey of 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene?
The InChIKey is FSEUOBOTEIZUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32/c1-2-9-28(10-3-1)19-29-11-6-12-30(20-29)21-31-13-7-14-32(22-31)23-33-15-8-16-34(24-33)25-35-26-36-17-4-5-18-37(36)27-35/h1-18,20,22,24,26H,19,21,23,25,27H2.
What are the key properties of 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene?
2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene has a molecular weight of 476.66 g/mol, XLogP of 8.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene is sourced from PubChem (CID 165066189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).